2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine

C18H15N3O3 — CID 21286354

IUPAC2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
SMILESC#CCc1c(C)nc2c(OCc3ccccc3[N+](=O)[O-])cccn12
InChIInChI=1S/C18H15N3O3/c1-3-7-15-13(2)19-18-17(10-6-11-20(15)18)24-12-14-8-4-5-9-16(14)21(22)23/h1,4-6,8-11H,7,12H2,2H3
InChIKeyIVEJYUDUMZWUQK-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine

2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine (PubChem CID 21286354) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
PubChem CID21286354
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
SMILESC#CCc1c(C)nc2c(OCc3ccccc3[N+](=O)[O-])cccn12
InChIInChI=1S/C18H15N3O3/c1-3-7-15-13(2)19-18-17(10-6-11-20(15)18)24-12-14-8-4-5-9-16(14)21(22)23/h1,4-6,8-11H,7,12H2,2H3
InChIKeyIVEJYUDUMZWUQK-UHFFFAOYSA-N
XLogP3.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 14368366
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 11796916
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
4-methyl-3-[(2-nitrophenyl)methoxy]benzonitrile
CID 103760077
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
2-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 47214179
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine (CID 21286354) is 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine is C#CCc1c(C)nc2c(OCc3ccccc3[N+](=O)[O-])cccn12.
What is the InChIKey of 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine?
The InChIKey is IVEJYUDUMZWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-3-7-15-13(2)19-18-17(10-6-11-20(15)18)24-12-14-8-4-5-9-16(14)21(22)23/h1,4-6,8-11H,7,12H2,2H3.
What are the key properties of 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine?
2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine has a molecular weight of 321.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine is sourced from PubChem (CID 21286354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).